CID 374080

Nsc651340

Structural Information

Molecular Formula
C12H18N4O
SMILES
CCNC(=O)C1=CC(=C(C=C1)C)N=NN(C)C
InChI
InChI=1S/C12H18N4O/c1-5-13-12(17)10-7-6-9(2)11(8-10)14-15-16(3)4/h6-8H,5H2,1-4H3,(H,13,17)
InChIKey
FCEZAHIFFJLZFP-UHFFFAOYSA-N
Compound name
3-(dimethylaminodiazenyl)-N-ethyl-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.14806 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.155336 154.8
[M+Na]+ 257.137278 160.7
[M-H]- 233.140784 162.7
[M+NH4]+ 252.181883 173.7
[M+K]+ 273.111218 161.1
[M+H-H2O]+ 217.145320 146.5
[M+HCOO]- 279.146261 185.4
[M+CH3COO]- 293.161911 211.1
[M+Na-2H]- 255.122726 160.0
[M]+ 234.14751142 157.7
[M]- 234.14860858 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.